1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one

C18H26N2O2 — CID 131644918

IUPAC1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one
SMILESCN1CCC2(COCCN(C(=O)CCc3ccccc3)C2)C1
InChIInChI=1S/C18H26N2O2/c1-19-10-9-18(13-19)14-20(11-12-22-15-18)17(21)8-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyDHSRCWFPMHFYMB-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.80
Rot. Bonds3

About 1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one

1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one (PubChem CID 131644918) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one
PubChem CID131644918
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one
SMILESCN1CCC2(COCCN(C(=O)CCc3ccccc3)C2)C1
InChIInChI=1S/C18H26N2O2/c1-19-10-9-18(13-19)14-20(11-12-22-15-18)17(21)8-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyDHSRCWFPMHFYMB-UHFFFAOYSA-N
XLogP1.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 131644499
1-[(5R)-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-(4-methylphenyl)ethanone
CID 97471970
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one
CID 75503965
1-[(5S)-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-2-phenylethanone
CID 97472026
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 97103334
3-pyridin-3-yl-1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398096
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
1-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-2-pyridin-4-ylethanone
CID 118745338
3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 112534338
1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone
CID 97494383

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one (CID 131644918) is 1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one is CN1CCC2(COCCN(C(=O)CCc3ccccc3)C2)C1.
What is the InChIKey of 1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one?
The InChIKey is DHSRCWFPMHFYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19-10-9-18(13-19)14-20(11-12-22-15-18)17(21)8-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3.
What are the key properties of 1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one?
1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one has a molecular weight of 302.42 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 131644918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).